3-(1H-imidazol-5-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline

Systemtic Name: 3-(1H-imidazol-5-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline Openeye Name: 3-(1H-imidazol-5-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline CAS Name: 3-(1H-imidazol-5-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline IUPAC Name: 3-(1H-imidazol-5-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline Traditional Name: [3-(1H-imidazol-5-yl)-4-(4-mesylphenyl)-2-(trifluoromethyl)phenyl]amine Formula: C17H14F3N3O2S MolecularWeight: 381.37217

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=C(C=C2)N)C(F)(F)F)C3=CN=CN3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=C(C=C2)N)C(F)(F)F)C3=CN=CN3

InChI

InChI=1S/C17H14F3N3O2S/c1-26(24,25)11-4-2-10(3-5-11)12-6-7-13(21)16(17(18,19)20)15(12)14-8-22-9-23-14/h2-9H,21H2,1H3,(H,22,23)